Products 3694-45-9
CAS 3694-45-9 appears in our catalog under these names: 4-Chlorobenzyl isothiocyanate, 95%, 4-Chlorobenzyl isothiocyanate, 97% , 4-Chlorobenzyl isothiocyanate. Offered by: Combi-blocks, Thermo Scientific (Alfa Aesar), Fluorochem. Available pack sizes: 25g, 5g, 1g.
1-chloro-4-(isothiocyanatomethyl)benzene (CAS 3694-45-9) is a chemical compound with the molecular formula C8H6ClNS and a molecular weight of 183.66 g/mol. IUPAC name: 1-chloro-4-(isothiocyanatomethyl)benzene. InChIKey: DEHXIHUIYSXZNH-UHFFFAOYSA-N.
| Molecular formula | C8H6ClNS |
|---|---|
| Molecular weight | 183.66 g/mol |
| IUPAC name | 1-chloro-4-(isothiocyanatomethyl)benzene |
| InChIKey | DEHXIHUIYSXZNH-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1CN=C=S)Cl |
Computed by PubChem (NCBI)
Synonyms:
4-Chlorobenzyl isothiocyanate, 1-Chloro-4-(isothiocyanatomethyl)benzene, Benzene, 1-chloro-4-(isothiocyanatomethyl)-, p-Chlorobenzyl isothiocyanate, ISOTHIOCYANIC ACID, p-CHLOROBENZYL ESTER, 4-Chlorobenzylisothiocyanate, Toluene, p-chloro-alpha-isothiocyanato-, p-chlorobenzylisothiocyanate, 4-chlorobenzylisothio-cyanate, 4-12-00-02373 (Beilstein Handbook Reference)